SCHEMBL4985115

SCHEMBL4985115

CCOC(=O)c1ccc(OCC)c(I)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
HSD17B2 P37059 1/20 0.53
ESR1 P03372 2/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5899536 0.87 HSD17B2 (0.65) CA12CA1CA2CA7CA9
SCHEMBL2964198 0.87 HSD17B2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL3410155 0.87 MGLL (0.56) CA12CA1CA2CA7CA9
SCHEMBL1011945 0.85 HSD17B2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL12493300 0.83 TAS1R3 (0.60) CA12CA1CA2CA7CA9
SCHEMBL4948306 0.83 TSHR (0.66) CA12CA1CA2CA7CA9
SCHEMBL29010144 0.83 CREBBP (0.66) CYP3A4NPC1USP2RAB9ASMN1; SMN2
SCHEMBL28417178 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1990526 0.82 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL30410030 0.81 CA12 (0.59) CA12CA1CA2CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 CA12 2225/4885CA1 522/4885CA2 625/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.